SCHEMBL2285244

SCHEMBL2285244

CCCCCCCCc1ccc2c(c1)CCC(C(NC(C)=O)(C(=O)O)C(=O)OC(C)CC)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.37
▸ S1PR3 Q99500 7/20 0.37
▸ S1PR4 O95977 3/20 0.37
▸ S1PR5 Q9H228 3/20 0.37
▸ PRKCG P05129 5/20 0.36
▸ PRKCB P05771 5/20 0.36
▸ PRKCH P24723 5/20 0.36
▸ PRKCE Q02156 5/20 0.36
▸ PRKCQ Q04759 5/20 0.36
▸ PRKCD Q05655 5/20 0.36
▸ PRKCA P17252 4/20 0.36
▸ PRKD3 O94806 3/20 0.36
▸ PRKCI P41743 3/20 0.36
▸ PRKCZ Q05513 3/20 0.36
▸ PRKD1 Q15139 3/20 0.36
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2011165 0.93 PRKCG (0.35) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2805057 0.86 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2283164 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2285235 0.84 PPARA (0.40) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2283476 0.83 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2008554 0.81 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL1471074 0.80 S1PR1 (0.36) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2011162 0.75 PPARA (0.42) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2805053 0.74 PPARA (0.47) S1PR1S1PR3S1PR4S1PR5PRKCG
SCHEMBL2283033 0.72 TUBB4A (0.36) S1PR1S1PR3S1PR4S1PR5TUBB4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173710-B2 Bicyclic sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-08 — — US disclosed
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-11 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
EP-2190852-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS University Of Virginia Patent Foundation (US) 2010-06-02 — — EP disclosed
WO-2009023854-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-19 — — WO disclosed
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-02-12 — — US disclosed
EP-1987013-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-11-05 — — EP disclosed
WO-2007092638-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-08-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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